null

SMILES C1CC(N(C1)c1ccnc2[nH]ccc12)c1ccccc1

InChI Key InChIKey=GUMMAYIOLPYJKE-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50255615   

TargetOxidized purine nucleoside triphosphate hydrolase(Homo sapiens (Human))
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL
LigandPNGBDBM50255615(CHEMBL4061204)copy SMILEScopy InChI
Affinity DataEC50:  63nMAssay Description:Binding affinity to MTH1 in human K562 cells assessed as concentration required to achieve half of the maximal stabilization of protein at 54 degC af...More data for this Ligand-Target Pair
TargetOxidized purine nucleoside triphosphate hydrolase(Homo sapiens (Human))
Sprint Bioscience AB, Novum , 14157 Huddinge , Sweden.

Curated by ChEMBL
LigandPNGBDBM50255615(CHEMBL4061204)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...More data for this Ligand-Target Pair